CAS 32247-96-4|1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene|3,5-Bis(trifluoromethyl)benzyl bromide|1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene|1-(bromomethyl)-3,5-di(trifluoromethyl)benzene|1...

General Information

Structure

Molecular Formula

C₉H₅BrF₆

Molecular Mass

307.0304192

Exact Mass

305.94788148

Charge

InChI

InChI=1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2

InChIKey

ATLQGZVLWOURFU-UHFFFAOYSA-N

Canonic Smiles

BrCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Isomeric Smiles

c1(cc(cc(c1)CBr)C(F)(F)F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.50168

LogD (pH = 7.4)

4.50168

Log P

4.50168

Molar Refractivity

50.8558

Polarizability

18.102528

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene

Synonyms

3,5-Bis(trifluoromethyl)benzyl bromide1-(bromomethyl)-3,5-di(trifluoromethyl)benzene1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene3,5-双(三氟甲基)苄基溴3,5-Bis(trifluoromethyl)benzyl bromide3,5-双(三氟甲基)溴苄3,5-Bis(trifluoromethyl)-alpha-bromotoluene3,5-Bis(trifluoromethyl)benzyl bromide 98%1,3-Bis(trifluoromethyl)-5-(bromomethyl)benzene3,5-二(三氟甲基)苄基溴1-(Bromomethyl)-3,5-bis(trifluoromethyl)benzene

IUPAC name

1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

MDL Number

EC Number